2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane

C66H87F3N10O6Si2 — CID 158407075

IUPAC2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane
SMILESCCN(CC)C1CCC(Nc2c(F)cc(-c3cnc4n[nH]c(-c5ccccc5OC)c4c3)cc2C(=O)N(C)C)CC1.COCC[Si](C)(C)C.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(F)c(F)c(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C32H39FN6O2.C28H32F2N4O3Si.C6H16OSi/c1-6-39(7-2)23-14-12-22(13-15-23)35-30-26(32(40)38(3)4)16-20(18-27(30)33)21-17-25-29(36-37-31(25)34-19-21)24-10-8-9-11-28(24)41-5;1-33(2)28(35)21-13-18(15-23(29)25(21)30)19-14-22-26(20-9-7-8-10-24(20)36-3)32-34(27(22)31-16-19)17-37-11-12-38(4,5)6;1-7-5-6-8(2,3)4/h8-11,16-19,22-23,35H,6-7,12-15H2,1-5H3,(H,34,36,37);7-10,13-16H,11-12,17H2,1-6H3;5-6H2,1-4H3
InChIKeyGYVHTXPWQVHXIU-UHFFFAOYSA-N
MW1229.65 g/mol
LogP14.24
Rot. Bonds21

About 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane

2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane (PubChem CID 158407075) has the molecular formula C66H87F3N10O6Si2 and a molecular weight of 1229.65 g/mol. Its IUPAC name is 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane.

Molecular Properties

Compound Name2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane
PubChem CID158407075
Molecular FormulaC66H87F3N10O6Si2
Molecular Weight1229.65 g/mol
Exact Mass1228.63
IUPAC Name2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane
SMILESCCN(CC)C1CCC(Nc2c(F)cc(-c3cnc4n[nH]c(-c5ccccc5OC)c4c3)cc2C(=O)N(C)C)CC1.COCC[Si](C)(C)C.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(F)c(F)c(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C32H39FN6O2.C28H32F2N4O3Si.C6H16OSi/c1-6-39(7-2)23-14-12-22(13-15-23)35-30-26(32(40)38(3)4)16-20(18-27(30)33)21-17-25-29(36-37-31(25)34-19-21)24-10-8-9-11-28(24)41-5;1-33(2)28(35)21-13-18(15-23(29)25(21)30)19-14-22-26(20-9-7-8-10-24(20)36-3)32-34(27(22)31-16-19)17-37-11-12-38(4,5)6;1-7-5-6-8(2,3)4/h8-11,16-19,22-23,35H,6-7,12-15H2,1-5H3,(H,34,36,37);7-10,13-16H,11-12,17H2,1-6H3;5-6H2,1-4H3
InChIKeyGYVHTXPWQVHXIU-UHFFFAOYSA-N
XLogP14.24
TPSA165.09 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.65
LogP ≤ 514.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane with MolForge

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Related Compounds

2-amino-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 25143659
[2-amino-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 25143660
{2-amino-3-fluoro-5-[3-(2-methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-(3-di-methylamino-pyrrolidin-1-yl)-methanone
CID 25143661
3-[3-(2,3-difluoro-6-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 25145480
N-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole-5-carboxamide
CID 56591222
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indazole-5-carboxamide
CID 56591245
2-[(1,5-dimethylpyrazol-3-yl)methylamino]-3-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 57731608
3-[6-(2,4-difluoroanilino)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methoxy-N-pyridin-2-ylbenzamide
CID 57911667
3-Fluoro-2-(4-hydroxy-cyclohexylamino)-5-[3-(2-methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-benzamide
CID 57975711
2-(4-diethylamino-cyclohexylamino)-3-fluoro-5-[3-(2-methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-benzamide
CID 57975713
2,3-difluoro-5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-benzamide
CID 57975728
[3-fluoro-2-[(4-hydroxycyclohexyl)amino]-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 57975729

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane?
The IUPAC name of 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane (CID 158407075) is 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane.
What is the SMILES notation for 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane?
The canonical SMILES for 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane is CCN(CC)C1CCC(Nc2c(F)cc(-c3cnc4n[nH]c(-c5ccccc5OC)c4c3)cc2C(=O)N(C)C)CC1.COCC[Si](C)(C)C.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(F)c(F)c(C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane?
The InChIKey is GYVHTXPWQVHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O2.C28H32F2N4O3Si.C6H16OSi/c1-6-39(7-2)23-14-12-22(13-15-23)35-30-26(32(40)38(3)4)16-20(18-27(30)33)21-17-25-29(36-37-31(25)34-19-21)24-10-8-9-11-28(24)41-5;1-33(2)28(35)21-13-18(15-23(29)25(21)30)19-14-22-26(20-9-7-8-10-24(20)36-3)32-34(27(22)31-16-19)17-37-11-12-38(4,5)6;1-7-5-6-8(2,3)4/h8-11,16-19,22-23,35H,6-7,12-15H2,1-5H3,(H,34,36,37);7-10,13-16H,11-12,17H2,1-6H3;5-6H2,1-4H3.
What are the key properties of 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane?
2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane has a molecular weight of 1229.65 g/mol, XLogP of 14.24, 21 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)cyclohexyl]amino]-3-fluoro-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2,3-difluoro-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethylbenzamide;2-methoxyethyl(trimethyl)silane is sourced from PubChem (CID 158407075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).